tert-butyl (3S)-3-(2-ethoxy-2-oxidanylidene-ethyl)-3-(phenylmethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-ethoxy-2-oxidanylidene-ethyl)-3-(phenylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-benzyl-3-(2-ethoxy-2-oxo-ethyl)piperidine-1-carboxylate CAS Name: (3S)-3-(2-ethoxy-2-oxoethyl)-3-(phenylmethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-benzyl-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate Traditional Name: (3S)-3-benzyl-3-(2-ethoxy-2-keto-ethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@]1(CCCN(C1)C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H31NO4/c1-5-25-18(23)15-21(14-17-10-7-6-8-11-17)12-9-13-22(16-21)19(24)26-20(2,3)4/h6-8,10-11H,5,9,12-16H2,1-4H3/t21-/m0/s1